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Geometry for NH2CH2NH2 (diaminomethane) 1A1 C2V

1910171554
InChI=1S/CH6N2/c2-1-3/h1-3H2 INChIKey=RTWNYYOXLSILQN-UHFFFAOYSA-N

QCISD/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5585   0.5585 0.0000 0.0000
N2 0.0000 1.2667 -0.1856   -0.1856 0.0000 1.2667
N3 0.0000 -1.2667 -0.1856   -0.1856 0.0000 -1.2667
H4 0.8882 0.0000 1.2120   1.2120 0.8882 0.0000
H5 -0.8882 0.0000 1.2120   1.2120 -0.8882 0.0000
H6 0.8187 1.3210 -0.7942   -0.7942 0.8187 1.3210
H7 -0.8187 1.3210 -0.7942   -0.7942 -0.8187 1.3210
H8 -0.8187 -1.3210 -0.7942   -0.7942 -0.8187 -1.3210
H9 0.8187 -1.3210 -0.7942   -0.7942 0.8187 -1.3210
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7 H8 H9
C1 1.4691 1.4691 1.1027 1.1027 2.0604 2.0604 2.0604 2.0604
N2 1.4691 2.5333 2.0849 2.0849 1.0216 1.0216 2.7815 2.7815
N3 1.4691 2.5333 2.0849 2.0849 2.7815 2.7815 1.0216 1.0216
H4 1.1027 2.0849 2.0849 1.7765 2.4031 2.9468 2.9468 2.4031
H5 1.1027 2.0849 2.0849 1.7765 2.9468 2.4031 2.4031 2.9468
H6 2.0604 1.0216 2.7815 2.4031 2.9468 1.6373 3.1083 2.6421
H7 2.0604 1.0216 2.7815 2.9468 2.4031 1.6373 2.6421 3.1083
H8 2.0604 2.7815 1.0216 2.9468 2.4031 3.1083 2.6421 1.6373
H9 2.0604 2.7815 1.0216 2.4031 2.9468 2.6421 3.1083 1.6373
Maximum atom distance is 3.1083Å between atoms H6 and H8.
picture of diaminomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 119.135
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.345 C1 N2 H7 110.345
C1 N3 H8 110.345 C1 N3 H9 110.345
N2 C1 H4 107.467 N2 C1 H5 107.467
N3 C1 H4 107.467 N3 C1 H5 107.467
H4 C1 H5 107.318 H6 N2 H7 106.527
H8 N3 H9 106.527

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.